N-(2-chloro-6-methylphenyl)-4-fluoro-3-sulfanylbenzamide

C14H11ClFNOS — CID 107031792

IUPACN-(2-chloro-6-methylphenyl)-4-fluoro-3-sulfanylbenzamide
SMILESCc1cccc(Cl)c1NC(=O)c1ccc(F)c(S)c1
InChIInChI=1S/C14H11ClFNOS/c1-8-3-2-4-10(15)13(8)17-14(18)9-5-6-11(16)12(19)7-9/h2-7,19H,1H3,(H,17,18)
InChIKeyTUQLQPGTTLLTJA-UHFFFAOYSA-N
MW295.77 g/mol
LogP4.33
Rot. Bonds2

About N-(2-chloro-6-methylphenyl)-4-fluoro-3-sulfanylbenzamide

N-(2-chloro-6-methylphenyl)-4-fluoro-3-sulfanylbenzamide (PubChem CID 107031792) has the molecular formula C14H11ClFNOS and a molecular weight of 295.77 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-4-fluoro-3-sulfanylbenzamide.

Molecular Properties

Compound NameN-(2-chloro-6-methylphenyl)-4-fluoro-3-sulfanylbenzamide
PubChem CID107031792
Molecular FormulaC14H11ClFNOS
Molecular Weight295.77 g/mol
Exact Mass295.02
IUPAC NameN-(2-chloro-6-methylphenyl)-4-fluoro-3-sulfanylbenzamide
SMILESCc1cccc(Cl)c1NC(=O)c1ccc(F)c(S)c1
InChIInChI=1S/C14H11ClFNOS/c1-8-3-2-4-10(15)13(8)17-14(18)9-5-6-11(16)12(19)7-9/h2-7,19H,1H3,(H,17,18)
InChIKeyTUQLQPGTTLLTJA-UHFFFAOYSA-N
XLogP4.33
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-6-methylphenyl)-3,5-difluoro-4-hydrazinylbenzamide
CID 66255840
4-bromo-3-chloro-N-(2-chloro-6-methylphenyl)benzamide
CID 81002737
N-(2-chloro-6-methylphenyl)-3-hydroxy-4-methylbenzamide
CID 66254574
5-chloro-N-(2-chloro-6-methylphenyl)-2-fluorobenzamide
CID 66254946
4-bromo-3-chloro-N-(2-fluoro-6-methylphenyl)benzamide
CID 113352699
3-[(2-chloro-6-methylphenyl)carbamoyl]benzoic acid
CID 66254685
N-(2-chloro-6-methylphenyl)-3-hydroxy-4-iodobenzamide
CID 104629237
4-tert-butyl-N-(2-chloro-6-methylphenyl)benzamide
CID 721211
N-(2-chloro-6-methylphenyl)-4-fluoro-2-methylbenzamide
CID 113219145
N-(2-bromo-6-chloro-4-fluorophenyl)-4-fluoro-3-sulfanylbenzamide
CID 107617505
3-bromo-N-(2,6-dimethylphenyl)-4-fluorobenzamide
CID 103714167
N-(2-chloro-6-methylphenyl)-4-methyl-3-nitrobenzamide
CID 711319

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-4-fluoro-3-sulfanylbenzamide?
The IUPAC name of N-(2-chloro-6-methylphenyl)-4-fluoro-3-sulfanylbenzamide (CID 107031792) is N-(2-chloro-6-methylphenyl)-4-fluoro-3-sulfanylbenzamide.
What is the SMILES notation for N-(2-chloro-6-methylphenyl)-4-fluoro-3-sulfanylbenzamide?
The canonical SMILES for N-(2-chloro-6-methylphenyl)-4-fluoro-3-sulfanylbenzamide is Cc1cccc(Cl)c1NC(=O)c1ccc(F)c(S)c1.
What is the InChIKey of N-(2-chloro-6-methylphenyl)-4-fluoro-3-sulfanylbenzamide?
The InChIKey is TUQLQPGTTLLTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNOS/c1-8-3-2-4-10(15)13(8)17-14(18)9-5-6-11(16)12(19)7-9/h2-7,19H,1H3,(H,17,18).
What are the key properties of N-(2-chloro-6-methylphenyl)-4-fluoro-3-sulfanylbenzamide?
N-(2-chloro-6-methylphenyl)-4-fluoro-3-sulfanylbenzamide has a molecular weight of 295.77 g/mol, XLogP of 4.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methylphenyl)-4-fluoro-3-sulfanylbenzamide is sourced from PubChem (CID 107031792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).